Table 8.
Molecules predicted active by all three models: pharmacophore, TensorFlow, and Waikato Environment for Knowledge Analysis (WEKA). IC50 experimental values were gathered from the literature [28,29,30,31,32,33,34,35].
| Drug Name | 2D Structure | Drug Class and Activity | IC50 (μM) | Drug Target |
|---|---|---|---|---|
| Amikacin |
|
Aminoglycoside antibiotic | 11 | 30S ribosomal subunit |
| Diazolidinyl urea |
|
Antimicrobial preservative and that acts as an antibacterial agent | 55 | DNA |
| Dibekacin |
|
Aminoglycoside antibiotic | 32.3 | 30S ribosomal subunit |
| Framycetin |
|
Aminoglycoside antibiotic | 4.38 | 30S ribosomal subunit |
| Gentamicin |
|
Aminoglycoside antibiotic | 34.6 | 30S ribosomal subunit |
| Kanamycin |
|
Aminoglycoside antibiotic | 46 | 30S ribosomal subunit |
| Lactulose |
|
Synthetic disaccharide derivative of lactose | 10 | Evolved beta-galactosidase subunit alpha in Escherichia coli strain K12 |
| Lymecycline |
|
Tetracycline broad-spectrum antibiotic | 4 | 30S ribosomal subunit |
| Micronomicin |
|
Aminoglycoside antibiotic | 33 | 30S ribosomal subunit |
| Netilmicin |
|
Aminoglycoside antibiotic derived from sisomicin | 15 | 30S ribosomal subunit |
| Regadenoson |
|
Adenosine receptor agonist | 1.2 | A2A adenosine receptor |
| Ribostamycin |
|
Aminoglycoside antibiotic | 87.5 | 30S ribosomal subunit |
| Rutin |
|
Flavonoid that exhibits antibacterial, anti-oxidant, anti-tumor, and anti-inflammatory activity | 3.53 | DNA topoisomerase IV |
| Steviolbioside |
|
Beta-d-glucoside with moderate antituberculosis activity against the M. tuberculosis strain H37RV | 48.2 | M. tuberculosis strain H37RV |
| Streptozocin |
|
Antibiotic used as an antineoplastic agent to treat metastatic pancreatic islet cell carcinoma | 11.7 | Cytosine moieties of bacterial DNA |
| Tobramycin |
|
Aminoglycoside antibiotic | 15.5 | 30S ribosomal subunit |